dibutyltin; 2-methylsulfanylpyridine-3-carboxylic acid; dihydrate

Systemtic Name: dibutyltin; 2-methylsulfanylpyridine-3-carboxylic acid; dihydrate Openeye Name: dibutyltin; 2-methylsulfanylpyridine-3-carboxylic acid; dihydrate CAS Name: dibutyltin; 2-(methylthio)-3-pyridinecarboxylic acid; dihydrate IUPAC Name: dibutyltin; 2-methylsulfanylpyridine-3-carboxylic acid; dihydrate Traditional Name: dibutyltin; 2-(methylthio)nicotinic acid; dihydrate Formula: C60H104N4O10S4Sn4 MolecularWeight: 1644.58856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CSC1=C(C=CC=N1)C(=O)O.CSC1=C(C=CC=N1)C(=O)O.CSC1=C(C=CC=N1)C(=O)O.CSC1=C(C=CC=N1)C(=O)O.O.O

Isomeric SMILES

CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CCCC[Sn]CCCC.CSC1=C(C=CC=N1)C(=O)O.CSC1=C(C=CC=N1)C(=O)O.CSC1=C(C=CC=N1)C(=O)O.CSC1=C(C=CC=N1)C(=O)O.O.O

InChI

InChI=1S/4C7H7NO2S.8C4H9.2H2O.4Sn/c4*1-11-6-5(7(9)10)3-2-4-8-6;8*1-3-4-2;;;;;;/h4*2-4H,1H3,(H,9,10);8*1,3-4H2,2H3;2*1H2;;;;